2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid

C11H15N3O3 — CID 121205045

IUPAC2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid
SMILESO=C(O)COc1ccc(N2CCCCC2)nn1
InChIInChI=1S/C11H15N3O3/c15-11(16)8-17-10-5-4-9(12-13-10)14-6-2-1-3-7-14/h4-5H,1-3,6-8H2,(H,15,16)
InChIKeyZSRTXLBTNGCXEN-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.93
Rot. Bonds4

About 2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid

2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid (PubChem CID 121205045) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid
PubChem CID121205045
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid
SMILESO=C(O)COc1ccc(N2CCCCC2)nn1
InChIInChI=1S/C11H15N3O3/c15-11(16)8-17-10-5-4-9(12-13-10)14-6-2-1-3-7-14/h4-5H,1-3,6-8H2,(H,15,16)
InChIKeyZSRTXLBTNGCXEN-UHFFFAOYSA-N
XLogP0.93
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid?
The IUPAC name of 2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid (CID 121205045) is 2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid is O=C(O)COc1ccc(N2CCCCC2)nn1.
What is the InChIKey of 2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid?
The InChIKey is ZSRTXLBTNGCXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-11(16)8-17-10-5-4-9(12-13-10)14-6-2-1-3-7-14/h4-5H,1-3,6-8H2,(H,15,16).
What are the key properties of 2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid?
2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-piperidin-1-ylpyridazin-3-yl)oxyacetic acid is sourced from PubChem (CID 121205045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).